1-(ethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide

C8H18N4O3S — CID 104978316

IUPAC1-(ethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
SMILESCCNS(=O)(=O)NC1(C(N)=NO)CCCC1
InChIInChI=1S/C8H18N4O3S/c1-2-10-16(14,15)12-8(7(9)11-13)5-3-4-6-8/h10,12-13H,2-6H2,1H3,(H2,9,11)
InChIKeyKKZWPQSAZOBFFC-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.51
Rot. Bonds5

About 1-(ethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide

1-(ethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide (PubChem CID 104978316) has the molecular formula C8H18N4O3S and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-(ethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide.

Molecular Properties

Compound Name1-(ethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
PubChem CID104978316
Molecular FormulaC8H18N4O3S
Molecular Weight250.32 g/mol
Exact Mass250.11
IUPAC Name1-(ethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
SMILESCCNS(=O)(=O)NC1(C(N)=NO)CCCC1
InChIInChI=1S/C8H18N4O3S/c1-2-10-16(14,15)12-8(7(9)11-13)5-3-4-6-8/h10,12-13H,2-6H2,1H3,(H2,9,11)
InChIKeyKKZWPQSAZOBFFC-UHFFFAOYSA-N
XLogP-0.51
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-1-(methylsulfamoylamino)cycloheptane-1-carboximidamide
CID 104978336
1-(ethylsulfamoylamino)cycloheptane-1-carbothioamide
CID 114808160
ethyl N-[[1-(N'-hydroxycarbamimidoyl)cycloheptyl]sulfamoyl]carbamate
CID 104929323
methyl 1-(ethylsulfamoylamino)cyclohexane-1-carboxylate
CID 14976116
1-(cyclopropylmethylsulfonylamino)-N'-hydroxycyclooctane-1-carboximidamide
CID 77052442
N'-hydroxy-1-methyl-4-(methylsulfamoylamino)piperidine-4-carboximidamide
CID 104978294
1,1-diethyl-3-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]urea
CID 79161293
ethyl N-[[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]sulfamoyl]carbamate
CID 104929320
N'-hydroxy-1-[(2-methylphenyl)sulfonylamino]cyclohexane-1-carboximidamide
CID 77077380
N'-hydroxy-4-methyl-1-(sulfamoylamino)cyclohexane-1-carboximidamide
CID 104985759
1-(ethylsulfamoylamino)-4-methylcyclohexane-1-carboximidamide
CID 114813326
2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide
CID 104978310

Frequently Asked Questions

What is the IUPAC name of 1-(ethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide?
The IUPAC name of 1-(ethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide (CID 104978316) is 1-(ethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide.
What is the SMILES notation for 1-(ethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide?
The canonical SMILES for 1-(ethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide is CCNS(=O)(=O)NC1(C(N)=NO)CCCC1.
What is the InChIKey of 1-(ethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide?
The InChIKey is KKZWPQSAZOBFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O3S/c1-2-10-16(14,15)12-8(7(9)11-13)5-3-4-6-8/h10,12-13H,2-6H2,1H3,(H2,9,11).
What are the key properties of 1-(ethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide?
1-(ethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide has a molecular weight of 250.32 g/mol, XLogP of -0.51, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide is sourced from PubChem (CID 104978316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).